4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)C[NH+]4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H26N2O4/c28-25-13-20(21-11-18-2-1-3-19(18)12-23(21)31-25)15-27-8-6-26(7-9-27)14-17-4-5-22-24(10-17)30-16-29-22/h4-5,10-13H,1-3,6-9,14-16H2/p+1